Ethyl 2-heptynoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H14O2
Molecular Weight	154.2063
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 2-heptynoate

Structure Search

SMILES

CCCCC#CC(=O)OCC

InChI

InChIKey=GDCQMGYMFGPMCX-UHFFFAOYSA-N

InChI=1S/C9H14O2/c1-3-5-6-7-8-9(10)11-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H14O2
Molecular Weight	154.2063
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:11:54 GMT 2023` Edited by `admin` on `Sat Dec 16 13:11:54 GMT 2023`
Record UNII	H59KJ98LCC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 2-heptynoate

Systematic Name

English

Ethyl hept-2-ynoate

Systematic Name

English

NSC-190963

Code

English

2-Heptynoic acid, ethyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80168692

Created by admin on Sat Dec 16 13:11:54 GMT 2023 , Edited by admin on Sat Dec 16 13:11:54 GMT 2023

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FDA UNII

H59KJ98LCC

Created by admin on Sat Dec 16 13:11:54 GMT 2023 , Edited by admin on Sat Dec 16 13:11:54 GMT 2023

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ECHA (EC/EINECS)

240-996-6

Created by admin on Sat Dec 16 13:11:54 GMT 2023 , Edited by admin on Sat Dec 16 13:11:54 GMT 2023

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PUBCHEM

85647

Created by admin on Sat Dec 16 13:11:54 GMT 2023 , Edited by admin on Sat Dec 16 13:11:54 GMT 2023

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CAS

16930-95-3

Created by admin on Sat Dec 16 13:11:54 GMT 2023 , Edited by admin on Sat Dec 16 13:11:54 GMT 2023

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